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Compile Data Set for Download or QSAR

Found 159 hits from California Institute of Technology   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93014
PNG
(Indole-2-carboxamide)
Show SMILES NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
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6.40E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93014
PNG
(Indole-2-carboxamide)
Show SMILES NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
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7.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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9.80E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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9.80E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.24E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93020
PNG
(Indole-5-carboxamide)
Show SMILES NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93020
PNG
(Indole-5-carboxamide)
Show SMILES NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
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1.33E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93020
PNG
(Indole-5-carboxamide)
Show SMILES NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
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1.35E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.37E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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1.44E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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1.48E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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1.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93019
PNG
(Indole-5-carboxylate)
Show SMILES COC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
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2.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93019
PNG
(Indole-5-carboxylate)
Show SMILES COC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
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2.80E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93019
PNG
(Indole-5-carboxylate)
Show SMILES COC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
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3.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93018
PNG
(Indole-4-carboxamide)
Show SMILES NC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
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4.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93018
PNG
(Indole-4-carboxamide)
Show SMILES NC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
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4.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.40E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93018
PNG
(Indole-4-carboxamide)
Show SMILES NC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.90E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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5.70E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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7.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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8.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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8.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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9.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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1.02E+7n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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1.10E+7n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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1.14E+7n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
G-protein coupled receptor Mth


(Drosophila melanogaster)
BDBM50482584
PNG
(CHEMBL1221881)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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n/an/a 45n/an/an/an/an/an/a



California Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster Mth ectodomain transfected into human HEK cells assessed as inhibition of N-Stunted-induced Mth signaling


Nat Chem Biol 3: 415-9 (2007)

More data for this
Ligand-Target Pair
G-protein coupled receptor Mth


(Drosophila melanogaster)
BDBM50482585
PNG
(CHEMBL1221882)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O
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n/an/a 115n/an/an/an/an/an/a



California Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster Mth ectodomain transfected into human HEK cells assessed as inhibition of N-Stunted-induced Mth signaling


Nat Chem Biol 3: 415-9 (2007)

More data for this
Ligand-Target Pair
AMSH-like protease


(Homo sapiens (Human))
BDBM401033
PNG
(US10005735, Compound 31)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C23H29N5O3S2/c29-19(8-2-1-7-18-21-16(13-33-18)27-23(31)28-21)24-9-4-10-25-22(30)15-11-14-5-3-6-17(32)20(14)26-12-15/h3,5-6,11-12,16,18,21,32H,1-2,4,7-10,13H2,(H,24,29)(H,25,30)(H2,27,28,31)/t16-,18-,21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
COP9 signalosome complex subunit 5 (Csn5)


(Homo sapiens (Human))
BDBM400994
PNG
(US10005735, Compound 7)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C15H12N2O2S/c18-15(17-9-12-4-2-6-19-12)11-7-10-3-1-5-13(20)14(10)16-8-11/h1-8,20H,9H2,(H,17,18)
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n/an/a 200n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM401033
PNG
(US10005735, Compound 31)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C23H29N5O3S2/c29-19(8-2-1-7-18-21-16(13-33-18)27-23(31)28-21)24-9-4-10-25-22(30)15-11-14-5-3-6-17(32)20(14)26-12-15/h3,5-6,11-12,16,18,21,32H,1-2,4,7-10,13H2,(H,24,29)(H,25,30)(H2,27,28,31)/t16-,18-,21-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM401008
PNG
(US10005735, Compound 17)
Show SMILES Fc1ccc(CNC(=O)c2cnc3c(S)cccc3c2)cc1
Show InChI InChI=1S/C17H13FN2OS/c18-14-6-4-11(5-7-14)9-20-17(21)13-8-12-2-1-3-15(22)16(12)19-10-13/h1-8,10,22H,9H2,(H,20,21)
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n/an/a<200n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
AMSH-like protease


(Homo sapiens (Human))
BDBM401021
PNG
(US10005735, Compound 20)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H14N2O3S/c21-18(13-7-12-2-1-3-16(24)17(12)19-9-13)20-8-11-4-5-14-15(6-11)23-10-22-14/h1-7,9,24H,8,10H2,(H,20,21)
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n/an/a<200n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM401020
PNG
(US10005735, Compound 19)
Show SMILES COc1ccc(CNC(=O)c2cnc3c(S)cccc3c2)cc1
Show InChI InChI=1S/C18H16N2O2S/c1-22-15-7-5-12(6-8-15)10-20-18(21)14-9-13-3-2-4-16(23)17(13)19-11-14/h2-9,11,23H,10H2,1H3,(H,20,21)
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n/an/a<200n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM401006
PNG
(US10005735, Compound 15)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13N3OS/c20-16(19-9-11-4-6-17-7-5-11)13-8-12-2-1-3-14(21)15(12)18-10-13/h1-8,10,21H,9H2,(H,19,20)
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n/an/a 200n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM400998
PNG
(US10005735, Compound 11)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1cccs1
Show InChI InChI=1S/C16H14N2OS2/c19-16(17-7-6-13-4-2-8-21-13)12-9-11-3-1-5-14(20)15(11)18-10-12/h1-5,8-10,20H,6-7H2,(H,17,19)
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n/an/a 300n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin | US10005735, Compound 12)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 340n/an/an/an/a7.530



California Institute of Technology



Assay Description
Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin | US10005735, Compound 12)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 340n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
COP9 signalosome complex subunit 5 (Csn5)


(Homo sapiens (Human))
BDBM401023
PNG
(US10005735, Compound 21)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O2S/c25-21(17-12-16-2-1-3-19(27)20(16)22-14-17)23-13-15-4-6-18(7-5-15)24-8-10-26-11-9-24/h1-7,12,14,27H,8-11,13H2,(H,23,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 350n/an/an/an/an/an/a



California Institute of Technology

US Patent


Assay Description
In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...


US Patent US10005735 (2018)

More data for this
Ligand-Target Pair
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